2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

C38H34N4O2 — CID 135250630

IUPAC2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=NCC(C)(C)O5)cn4)c3)nc2)O1
InChIInChI=1S/C38H34N4O2/c1-37(2)23-41-35(43-37)28-14-16-33(39-21-28)31-18-30(27-12-10-26(11-13-27)25-8-6-5-7-9-25)19-32(20-31)34-17-15-29(22-40-34)36-42-24-38(3,4)44-36/h5-22H,23-24H2,1-4H3
InChIKeyPHTPOVXLJHOTEN-UHFFFAOYSA-N
MW578.72 g/mol
LogP8.26
Rot. Bonds6

About 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole

2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250630) has the molecular formula C38H34N4O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250630
Molecular FormulaC38H34N4O2
Molecular Weight578.72 g/mol
Exact Mass578.27
IUPAC Name2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=NCC(C)(C)O5)cn4)c3)nc2)O1
InChIInChI=1S/C38H34N4O2/c1-37(2)23-41-35(43-37)28-14-16-33(39-21-28)31-18-30(27-12-10-26(11-13-27)25-8-6-5-7-9-25)19-32(20-31)34-17-15-29(22-40-34)36-42-24-38(3,4)44-36/h5-22H,23-24H2,1-4H3
InChIKeyPHTPOVXLJHOTEN-UHFFFAOYSA-N
XLogP8.26
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135249908
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135249725
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine
CID 118155074
5,5-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4H-1,3-oxazole
CID 135249621
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
2-(3,5-diphenylphenyl)-4-phenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838593
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine
CID 140904462
2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250689
2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250156
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250630) is 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(C5=NCC(C)(C)O5)cn4)c3)nc2)O1.
What is the InChIKey of 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is PHTPOVXLJHOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O2/c1-37(2)23-41-35(43-37)28-14-16-33(39-21-28)31-18-30(27-12-10-26(11-13-27)25-8-6-5-7-9-25)19-32(20-31)34-17-15-29(22-40-34)36-42-24-38(3,4)44-36/h5-22H,23-24H2,1-4H3.
What are the key properties of 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 578.72 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-5-(4-phenylphenyl)phenyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).